UCSF

ZINC34821315

Substance Information

In ZINC since Heavy atoms Benign functionality
September 28th, 2009 22 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.70 6.91 -11.28 1 4 0 55 335.19 3
Mid Mid (pH 6-8) 5.16 4.88 -45.31 0 4 -1 58 334.182 3

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )